#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwp s ASN 5 N 0.00 6.54 0.00 0.55 3.84 -1.26 -5.06 114.94 119.55 3hwp s ASN 5 Ca 0.00 1.20 0.00 0.00 0.21 0.00 0.00 52.86 54.27 3hwp s ASN 5 Cb 0.00 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 3hwp s ASN 5 CO 0.00 -0.42 0.00 1.07 -2.79 0.00 0.00 177.10 174.96 3hwp n THR 7 N -1.32 0.00 -2.26 -5.21 5.66 0.43 -0.95 114.28 110.63 3hwp n THR 7 Ca 0.03 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.61 3hwp n THR 7 Cb 0.54 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.29 3hwp n THR 7 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3hwp s PRO 8 N -1.45 4.39 0.26 1.09 0.04 -1.26 -0.88 135.00 137.19 3hwp s PRO 8 Ca 0.00 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 3hwp s PRO 8 Cb 0.00 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.20 3hwp s PRO 8 CO 0.00 -0.27 1.45 0.12 0.04 0.00 0.00 177.00 178.34 3hwp s PHE 9 N 0.51 2.99 -1.04 0.56 5.36 -1.26 -4.92 117.98 120.17 3hwp s PHE 9 Ca 0.58 1.02 0.14 0.00 -0.96 0.00 0.00 56.93 57.72 3hwp s PHE 9 Cb -0.35 -3.84 -0.07 0.00 -0.34 0.00 0.00 43.02 38.42 3hwp s PHE 9 CO 0.34 -2.73 0.71 0.25 -1.46 0.00 0.00 175.22 172.34 3hwp n THR 10 N 2.23 0.00 -4.57 0.12 -2.24 -1.26 -4.97 114.28 103.59 3hwp n THR 10 Ca 0.07 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 3hwp n THR 10 Cb 0.40 1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 69.56 3hwp n THR 10 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hwp s TYR 11 N -2.04 1.40 -0.04 4.78 5.04 -1.26 -5.12 117.35 120.12 3hwp s TYR 11 Ca 0.09 -0.49 -0.00 0.00 -2.44 0.00 0.00 57.07 54.23 3hwp s TYR 11 Cb 0.11 -1.03 0.03 0.00 0.35 0.00 0.00 41.96 41.42 3hwp s TYR 11 CO 0.47 -0.25 -0.00 -0.06 -1.34 0.00 0.00 175.55 174.36 3hwp s PHE 12 N 0.59 0.48 0.72 4.97 0.08 -1.26 -5.14 117.98 118.42 3hwp s PHE 12 Ca -0.13 -0.07 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 3hwp s PHE 12 Cb -0.15 -0.56 0.00 0.00 -0.57 0.00 0.00 43.02 41.74 3hwp s PHE 12 CO 0.03 -0.19 0.91 -1.13 -0.10 0.00 0.00 175.22 174.74 3hwp n SER 13 N 4.44 0.27 -0.11 1.36 3.41 -1.26 -4.58 113.62 117.16 3hwp n SER 13 Ca -0.20 0.66 -0.08 0.00 -0.26 0.00 0.00 58.87 58.99 3hwp n SER 13 Cb 0.50 -1.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.05 3hwp n SER 13 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hwp h LEU 14 N -0.27 -1.09 -2.78 1.04 5.85 -1.99 -0.91 115.31 115.16 3hwp h LEU 14 Ca -0.47 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3hwp h LEU 14 Cb 1.34 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.87 3hwp h LEU 14 CO 0.46 -0.33 0.00 -0.81 -0.34 0.00 0.00 178.44 177.43 3hwp n PRO 15 N -5.42 0.00 0.00 5.25 -0.04 -1.26 -1.99 135.00 131.54 3hwp n PRO 15 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hwp n PRO 15 Cb 0.34 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 3hwp n PRO 15 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hwp n GLN 17 N 1.34 0.00 -0.22 0.54 6.02 -0.35 -1.59 117.38 123.12 3hwp n GLN 17 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3hwp n GLN 17 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 3hwp n GLN 17 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3hwp h LYS 18 N 0.00 0.98 -0.73 -1.09 1.57 -1.68 -2.79 116.57 112.83 3hwp h LYS 18 Ca 0.00 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3hwp h LYS 18 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3hwp h LYS 18 CO 0.00 0.89 0.30 1.25 -0.57 0.00 0.00 179.45 181.33 3hwp h LEU 19 N 0.90 1.00 -0.57 2.94 5.85 -1.57 -2.74 115.31 121.12 3hwp h LEU 19 Ca 0.19 -0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.87 3hwp h LEU 19 Cb 0.35 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.02 3hwp h LEU 19 CO 0.00 0.90 -0.03 0.15 -0.34 0.00 0.00 178.44 179.12 3hwp h PHE 20 N 1.05 -0.09 -0.30 1.25 3.57 -1.62 0.13 116.94 120.93 3hwp h PHE 20 Ca 0.25 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3hwp h PHE 20 Cb 0.20 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3hwp h PHE 20 CO 0.02 -0.17 0.15 -0.07 -2.23 0.00 0.00 178.31 176.01 3hwp h LEU 21 N 0.09 0.39 -0.74 0.59 3.38 -1.27 0.25 115.31 118.00 3hwp h LEU 21 Ca 0.29 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3hwp h LEU 21 Cb 0.46 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3hwp h LEU 21 CO -0.51 0.40 0.49 0.03 0.09 0.00 0.00 178.44 178.94 3hwp h ARG 22 N 0.36 0.97 -0.65 1.13 3.08 -1.11 -1.99 114.38 116.15 3hwp h ARG 22 Ca 0.10 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3hwp h ARG 22 Cb 0.11 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3hwp h ARG 22 CO -0.01 0.64 0.20 -0.91 -1.07 0.00 0.00 179.97 178.82 3hwp h ASN 23 N 0.99 0.95 -0.84 7.04 2.35 -0.36 -1.90 115.58 123.81 3hwp h ASN 23 Ca 0.27 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3hwp h ASN 23 Cb -0.11 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 37.96 3hwp h ASN 23 CO -0.06 0.91 0.54 -0.61 -1.65 0.00 0.00 177.43 176.56 3hwp h GLN 24 N 0.95 1.02 -0.26 0.81 4.15 -0.13 -1.90 115.11 119.76 3hwp h GLN 24 Ca 0.21 -0.06 -0.16 0.00 0.77 0.00 0.00 58.65 59.41 3hwp h GLN 24 Cb 0.30 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3hwp h GLN 24 CO -0.01 0.68 -0.49 0.00 -1.93 0.00 0.00 178.83 177.08 3hwp h ALA 25 N 1.35 0.66 0.00 3.38 0.00 -1.20 -3.13 119.26 120.32 3hwp h ALA 25 Ca 0.34 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3hwp h ALA 25 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hwp h ALA 25 CO -0.12 0.68 -0.37 0.00 0.00 0.00 0.00 179.25 179.44 3hwp h ALA 26 N 0.91 1.23 0.00 0.00 0.00 -0.90 -3.08 119.26 117.42 3hwp h ALA 26 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hwp h ALA 26 Cb 1.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hwp h ALA 26 CO 0.10 0.46 -0.64 1.55 0.00 0.00 0.00 179.25 180.71 3hwp n VAL 27 N -3.86 0.21 -0.34 0.00 3.14 -0.75 -4.56 118.33 112.17 3hwp n VAL 27 Ca -0.01 -0.18 0.05 0.00 -2.96 0.00 0.00 64.34 61.24 3hwp n VAL 27 Cb 0.43 0.04 0.13 0.00 -1.06 0.00 0.00 33.84 33.37 3hwp n VAL 27 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3hwp n ARG 28 N -1.89 -0.09 -0.20 1.45 1.74 -1.17 -1.17 116.66 115.32 3hwp n ARG 28 Ca 0.04 1.46 0.11 0.00 -0.77 0.00 0.00 57.85 58.69 3hwp n ARG 28 Cb 0.41 -2.18 0.26 0.00 -1.02 0.00 0.00 32.46 29.92 3hwp n ARG 28 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hwp n ASN 29 N -5.52 3.06 -4.80 0.55 5.03 -1.26 -4.84 115.26 107.48 3hwp n ASN 29 Ca 0.15 -1.94 -0.35 0.00 0.87 0.00 0.00 54.58 53.30 3hwp n ASN 29 Cb 0.46 -0.27 -0.06 0.00 -1.02 0.00 0.00 39.78 38.90 3hwp n ASN 29 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hwp s LYS 30 N -1.47 4.36 0.55 3.52 -0.14 -0.32 -4.93 119.74 121.31 3hwp s LYS 30 Ca 0.38 1.29 0.27 0.00 -1.36 0.00 0.00 55.97 56.54 3hwp s LYS 30 Cb 0.21 -2.52 1.58 0.00 -1.68 0.00 0.00 37.83 35.43 3hwp s LYS 30 CO 0.30 0.08 2.16 -1.35 -0.76 0.00 0.00 175.35 175.77 3hwp h PRO 31 N 2.56 0.00 -0.63 -1.68 0.11 -1.92 -0.96 132.00 129.49 3hwp h PRO 31 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hwp h PRO 31 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hwp h PRO 31 CO 0.63 0.06 0.00 2.48 -0.21 0.00 0.00 178.00 180.96 3hwp n TYR 32 N -3.86 1.19 0.15 0.65 0.18 -1.26 -4.52 117.16 109.69 3hwp n TYR 32 Ca -0.03 -0.49 0.15 0.00 1.88 0.00 0.00 57.90 59.41 3hwp n TYR 32 Cb 0.15 -0.18 0.71 0.00 -0.38 0.00 0.00 39.34 39.65 3hwp n TYR 32 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hwp h ALA 33 N 3.96 2.15 0.00 -3.48 0.00 -1.39 -1.18 119.26 119.33 3hwp h ALA 33 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hwp h ALA 33 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hwp h ALA 33 CO 0.16 -0.32 0.00 0.36 0.00 0.00 0.00 179.25 179.45 3hwp n LYS 34 N -4.30 0.12 0.00 0.00 2.85 -1.26 -1.41 118.16 114.16 3hwp n LYS 34 Ca 0.03 0.46 0.13 0.00 -1.05 0.00 0.00 58.31 57.88 3hwp n LYS 34 Cb 0.35 -1.78 0.28 0.00 -0.65 0.00 0.00 35.03 33.22 3hwp n LYS 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3hwp n TYR 35 N -2.02 0.00 -2.82 5.58 4.01 -0.45 -4.76 117.16 116.70 3hwp n TYR 35 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 3hwp n TYR 35 Cb 0.14 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 3hwp n TYR 35 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3hwp s PHE 36 N -2.32 2.74 -0.01 -0.72 5.36 -0.50 -4.92 117.98 117.61 3hwp s PHE 36 Ca 0.26 -0.09 0.05 0.00 -0.96 0.00 0.00 56.93 56.19 3hwp s PHE 36 Cb 0.19 -4.16 -0.01 0.00 -0.34 0.00 0.00 43.02 38.71 3hwp s PHE 36 CO 0.47 -1.45 -0.15 1.03 -1.46 0.00 0.00 175.22 173.66 3hwp s ARG 37 N 4.10 1.22 0.17 10.12 0.52 -1.26 -5.05 118.95 128.77 3hwp s ARG 37 Ca 0.30 -0.56 0.09 0.00 -0.52 0.00 0.00 55.73 55.03 3hwp s ARG 37 Cb -0.13 -1.18 -0.07 0.00 0.52 0.00 0.00 34.95 34.09 3hwp s ARG 37 CO 0.18 0.32 1.36 0.66 0.02 0.00 0.00 175.30 177.84 3hwp h SER 38 N 5.70 0.00 -4.08 0.23 4.64 -2.00 -3.45 113.55 114.59 3hwp h SER 38 Ca -0.35 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.60 3hwp h SER 38 Cb 1.16 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.37 3hwp h SER 38 CO 0.48 0.86 0.26 1.21 -0.87 0.00 0.00 176.83 178.78 3hwp n GLU 39 N -3.40 -0.71 -3.64 4.77 2.13 -1.26 -5.05 120.64 113.47 3hwp n GLU 39 Ca 0.00 -1.90 -0.08 0.00 0.66 0.00 0.00 57.16 55.85 3hwp n GLU 39 Cb 0.85 -0.94 -0.07 0.00 0.27 0.00 0.00 31.44 31.56 3hwp n GLU 39 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3hwp s ARG 41 N -5.15 0.40 0.15 5.31 0.52 -1.26 -5.05 118.95 113.87 3hwp s ARG 41 Ca 0.60 0.47 0.05 0.00 -0.52 0.00 0.00 55.73 56.33 3hwp s ARG 41 Cb -0.02 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.60 3hwp s ARG 41 CO 0.41 -0.05 -0.11 0.14 0.02 0.00 0.00 175.30 175.72 3hwp s VAL 42 N 0.15 1.21 0.13 3.52 -7.23 -0.06 -4.36 120.40 113.77 3hwp s VAL 42 Ca 0.04 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 57.88 3hwp s VAL 42 Cb -0.05 -1.80 -0.09 0.00 0.56 0.00 0.00 36.38 35.00 3hwp s VAL 42 CO -0.08 -0.70 1.52 -2.84 -0.31 0.00 0.00 175.10 172.69 3hwp s PRO 43 N -3.59 4.25 0.27 4.82 0.02 -1.26 -0.43 135.00 139.07 3hwp s PRO 43 Ca 0.16 2.26 -0.04 0.00 0.02 0.00 0.00 61.00 63.39 3hwp s PRO 43 Cb 0.01 -3.24 0.33 0.00 0.02 0.00 0.00 34.50 31.62 3hwp s PRO 43 CO 0.01 -0.57 1.94 1.25 -0.33 0.00 0.00 177.00 179.30 3hwp h LEU 44 N 7.05 1.07 -0.66 -5.54 5.85 -1.40 -1.59 115.31 120.09 3hwp h LEU 44 Ca -0.42 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3hwp h LEU 44 Cb 1.20 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3hwp h LEU 44 CO 0.90 0.78 0.37 0.77 -0.34 0.00 0.00 178.44 180.92 3hwp h SER 45 N 1.25 0.81 -0.11 1.25 4.64 -1.91 -2.19 113.55 117.29 3hwp h SER 45 Ca 0.34 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 3hwp h SER 45 Cb -0.13 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.75 3hwp h SER 45 CO -0.07 0.66 -0.02 0.00 -0.87 0.00 0.00 176.83 176.53 3hwp h ALA 46 N 1.18 0.15 -0.35 5.18 0.00 -1.85 -3.17 119.26 120.40 3hwp h ALA 46 Ca 0.23 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hwp h ALA 46 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hwp h ALA 46 CO -0.04 -0.12 -0.17 -0.24 0.00 0.00 0.00 179.25 178.68 3hwp h VAL 47 N -0.11 1.26 -0.28 0.00 3.04 -1.21 -2.49 116.25 116.46 3hwp h VAL 47 Ca 0.03 -1.20 -0.01 0.00 -1.01 0.00 0.00 66.70 64.50 3hwp h VAL 47 Cb 0.43 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 3hwp h VAL 47 CO 0.01 0.40 0.11 0.03 -1.01 0.00 0.00 177.57 177.11 3hwp h ARG 48 N 0.58 0.39 0.00 4.17 3.08 -1.44 -1.87 114.38 119.29 3hwp h ARG 48 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hwp h ARG 48 Cb 0.62 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3hwp h ARG 48 CO 0.04 0.33 0.00 1.63 -1.07 0.00 0.00 179.97 180.90 3hwp n LYS 49 N -4.42 0.11 -0.82 0.04 4.76 -0.94 -2.38 118.16 114.51 3hwp n LYS 49 Ca 0.01 0.33 -0.02 0.00 -2.87 0.00 0.00 58.31 55.76 3hwp n LYS 49 Cb 0.13 -1.70 0.19 0.00 -1.84 0.00 0.00 35.03 31.81 3hwp n LYS 49 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3hwp n ILE 50 N -1.90 2.44 0.39 -0.18 -5.35 -0.71 -4.58 119.36 109.47 3hwp n ILE 50 Ca 0.03 -3.07 0.04 0.00 -0.27 0.00 0.00 62.75 59.48 3hwp n ILE 50 Cb 0.21 -0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 37.73 3hwp n ILE 50 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hwp n GLN 51 N -1.09 3.33 -2.46 6.28 6.02 -1.00 -4.72 117.38 123.73 3hwp n GLN 51 Ca 0.29 -0.25 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 3hwp n GLN 51 Cb 0.89 -0.96 0.02 0.00 1.02 0.00 0.00 30.24 31.21 3hwp n GLN 51 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hwp n GLN 52 N -0.79 2.73 0.00 -1.09 6.02 -1.26 -5.10 117.38 117.89 3hwp n GLN 52 Ca 0.02 -4.02 0.00 0.00 -0.01 0.00 0.00 57.00 52.99 3hwp n GLN 52 Cb 0.15 -1.94 0.00 0.00 1.02 0.00 0.00 30.24 29.47 3hwp n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hwp n GLY 53 N -0.45 -3.66 0.00 1.08 0.00 -1.26 -5.17 105.19 95.73 3hwp n GLY 53 Ca 0.29 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3hwp n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hwp n PRO 54 N -0.35 0.44 -3.98 1.61 -0.04 -1.26 -4.85 135.00 126.57 3hwp n PRO 54 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 3hwp n PRO 54 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 3hwp n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hwp s ALA 56 N -3.72 3.72 0.48 0.55 0.00 -1.26 -4.98 121.76 116.55 3hwp s ALA 56 Ca 0.00 -0.68 0.14 0.00 0.00 0.00 0.00 51.96 51.42 3hwp s ALA 56 Cb 0.00 -1.88 1.15 0.00 0.00 0.00 0.00 23.12 22.40 3hwp s ALA 56 CO 0.00 0.56 2.09 -0.07 0.00 0.00 0.00 175.76 178.34 3hwp h LEU 57 N 5.22 0.16 -1.86 0.00 3.38 -1.97 -1.06 115.31 119.18 3hwp h LEU 57 Ca -0.52 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.59 3hwp h LEU 57 Cb 1.21 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3hwp h LEU 57 CO 0.59 0.11 0.41 -0.33 0.09 0.00 0.00 178.44 179.31 3hwp h GLU 58 N 0.18 0.14 -0.01 1.13 3.07 -2.04 -1.20 114.58 115.85 3hwp h GLU 58 Ca 0.09 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3hwp h GLU 58 Cb 0.15 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3hwp h GLU 58 CO -0.02 0.09 -0.15 -0.25 -1.40 0.00 0.00 179.01 177.28 3hwp n ASP 59 N -4.41 1.34 -4.82 1.42 8.00 -0.40 -4.94 116.55 112.73 3hwp n ASP 59 Ca 0.11 -1.21 -0.23 0.00 0.71 0.00 0.00 54.79 54.17 3hwp n ASP 59 Cb 0.56 0.09 0.08 0.00 -0.02 0.00 0.00 41.12 41.83 3hwp n ASP 59 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hwp s THR 60 N -2.28 2.36 0.12 -3.53 -4.23 -0.46 -5.05 115.64 102.58 3hwp s THR 60 Ca 0.30 -0.52 0.08 0.00 -1.18 0.00 0.00 61.69 60.37 3hwp s THR 60 Cb 0.20 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 3hwp s THR 60 CO 0.44 0.00 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.56 3hwp s LEU 61 N -5.06 2.35 0.50 4.79 1.43 -1.26 -5.07 118.68 116.36 3hwp s LEU 61 Ca 0.62 -0.75 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3hwp s LEU 61 Cb -0.08 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.32 3hwp s LEU 61 CO 0.43 0.02 0.70 0.42 0.23 0.00 0.00 176.35 178.14 3hwp s THR 62 N -1.50 2.75 -0.97 5.49 -4.23 -1.26 -5.00 115.64 110.92 3hwp s THR 62 Ca 0.09 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 3hwp s THR 62 Cb -0.08 -2.91 0.18 0.00 1.34 0.00 0.00 72.50 71.02 3hwp s THR 62 CO 0.05 0.00 0.82 -0.81 -0.54 0.00 0.00 174.62 174.14 3hwp n PRO 63 N -2.14 1.81 -1.52 3.99 -0.05 -1.26 -4.22 135.00 131.61 3hwp n PRO 63 Ca 0.09 -0.69 -0.34 0.00 -0.05 0.00 0.00 63.50 62.52 3hwp n PRO 63 Cb 0.60 -1.61 0.08 0.00 -0.05 0.00 0.00 33.50 32.52 3hwp n PRO 63 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 3hwp s SER 64 N -0.27 4.47 0.20 3.54 1.04 -1.26 -4.80 113.70 116.61 3hwp s SER 64 Ca 0.12 2.22 -0.11 0.00 0.48 0.00 0.00 55.95 58.66 3hwp s SER 64 Cb 0.09 -2.57 0.20 0.00 0.10 0.00 0.00 66.02 63.83 3hwp s SER 64 CO 0.04 -2.07 1.79 0.40 0.98 0.00 0.00 173.24 174.38 3hwp h ILE 65 N -0.24 0.94 -0.62 -1.02 2.04 -1.89 -1.78 117.51 114.94 3hwp h ILE 65 Ca -0.47 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.22 3hwp h ILE 65 Cb 1.28 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3hwp h ILE 65 CO 0.51 0.10 0.38 -0.08 0.00 0.00 0.00 178.15 179.06 3hwp h GLU 66 N 0.57 0.73 -0.00 2.37 4.81 -1.91 -3.01 114.58 118.14 3hwp h GLU 66 Ca 0.27 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3hwp h GLU 66 Cb 0.19 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3hwp h GLU 66 CO -0.19 0.48 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.13 3hwp h ASP 67 N 0.75 0.01 0.22 1.04 3.32 -1.70 -3.24 116.42 116.81 3hwp h ASP 67 Ca 0.25 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3hwp h ASP 67 Cb 0.03 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3hwp h ASP 67 CO -0.11 0.45 -0.11 0.16 -1.72 0.00 0.00 179.24 177.91 3hwp h ILE 68 N -0.43 0.75 0.00 0.35 3.07 -1.37 -1.41 117.51 118.48 3hwp h ILE 68 Ca 0.00 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.98 3hwp h ILE 68 Cb 0.44 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 3hwp h ILE 68 CO 0.00 0.11 0.00 0.78 -1.05 0.00 0.00 178.15 177.99 3hwp h ASN 69 N 0.00 0.00 0.18 2.16 2.35 -1.55 -2.30 115.58 116.42 3hwp h ASN 69 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3hwp h ASN 69 Cb 0.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3hwp h ASN 69 CO 0.01 0.00 -0.03 0.03 -1.65 0.00 0.00 177.43 175.79 3hwp h ARG 70 N 0.00 0.00 0.00 0.81 3.08 -1.32 0.04 114.38 116.99 3hwp h ARG 70 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hwp h ARG 70 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3hwp h ARG 70 CO 0.00 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.21 3hwp n LEU 71 N -3.48 0.60 -0.82 3.04 4.77 -0.87 -2.72 117.00 117.52 3hwp n LEU 71 Ca -0.02 0.67 0.07 0.00 -0.03 0.00 0.00 56.01 56.70 3hwp n LEU 71 Cb 0.14 -0.62 0.20 0.00 -2.33 0.00 0.00 43.42 40.81 3hwp n LEU 71 CO 0.26 -0.61 0.67 0.18 -1.33 0.00 0.00 177.39 176.55 3hwp n LEU 72 N -2.19 3.29 -4.75 2.23 4.77 0.00 -4.94 117.00 115.41 3hwp n LEU 72 Ca 0.01 -2.14 -0.40 0.00 -0.03 0.00 0.00 56.01 53.45 3hwp n LEU 72 Cb 0.19 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 3hwp n LEU 72 CO 0.17 0.76 0.69 -1.61 -1.33 0.00 0.00 177.39 176.08 3hwp s GLU 73 N -1.26 4.79 0.20 3.23 2.02 -1.10 -4.77 118.70 121.81 3hwp s GLU 73 Ca 0.30 1.57 -0.19 0.00 0.02 0.00 0.00 54.97 56.67 3hwp s GLU 73 Cb 0.18 -3.26 0.16 0.00 0.10 0.00 0.00 34.13 31.30 3hwp s GLU 73 CO 0.18 0.41 1.45 -2.30 0.02 0.00 0.00 175.26 175.01 3hwp n PRO 74 N 1.54 -0.26 -1.23 0.39 -0.02 -1.26 -0.84 135.00 133.31 3hwp n PRO 74 Ca -0.01 1.43 -0.22 0.00 -2.02 0.00 0.00 63.50 62.68 3hwp n PRO 74 Cb 0.47 -2.12 0.14 0.00 -0.02 0.00 0.00 33.50 31.97 3hwp n PRO 74 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hwp n ASP 75 N -5.33 4.62 -4.75 2.55 8.00 -1.26 -4.98 116.55 115.40 3hwp n ASP 75 Ca 0.08 -3.73 -0.39 0.00 0.71 0.00 0.00 54.79 51.46 3hwp n ASP 75 Cb 0.34 -0.77 -0.05 0.00 -0.02 0.00 0.00 41.12 40.62 3hwp n ASP 75 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3hwp s PHE 76 N -3.47 3.68 -0.06 1.24 5.36 -0.02 -5.06 117.98 119.66 3hwp s PHE 76 Ca 0.55 1.28 -0.01 0.00 -0.96 0.00 0.00 56.93 57.79 3hwp s PHE 76 Cb 0.46 -2.69 0.03 0.00 -0.34 0.00 0.00 43.02 40.47 3hwp s PHE 76 CO 0.04 0.29 0.01 0.08 -1.46 0.00 0.00 175.22 174.18 3hwp s VAL 77 N 0.01 0.22 0.49 3.12 1.01 -1.26 -4.96 120.40 119.03 3hwp s VAL 77 Ca 0.34 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 3hwp s VAL 77 Cb -0.19 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 3hwp s VAL 77 CO 0.19 0.22 1.16 -0.55 0.00 0.00 0.00 175.10 176.12 3hwp s SER 78 N 1.83 5.95 0.77 3.32 0.15 -1.26 -5.03 113.70 119.44 3hwp s SER 78 Ca 0.02 2.29 -0.11 0.00 0.70 0.00 0.00 55.95 58.84 3hwp s SER 78 Cb -0.12 -2.60 0.06 0.00 -1.71 0.00 0.00 66.02 61.65 3hwp s SER 78 CO -0.04 -1.07 1.11 -1.61 1.20 0.00 0.00 173.24 172.83 3hwp s GLU 79 N -2.92 2.16 0.26 5.44 2.02 -1.26 -4.80 118.70 119.59 3hwp s GLU 79 Ca 0.67 1.29 -0.02 0.00 0.02 0.00 0.00 54.97 56.93 3hwp s GLU 79 Cb -0.28 -1.88 0.33 0.00 0.10 0.00 0.00 34.13 32.40 3hwp s GLU 79 CO 0.33 -1.73 1.74 0.93 0.02 0.00 0.00 175.26 176.55 3hwp h GLU 80 N -1.01 0.76 -2.86 1.61 5.08 -1.90 -3.11 114.58 113.15 3hwp h GLU 80 Ca -0.44 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 57.75 3hwp h GLU 80 Cb 1.24 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 3hwp h GLU 80 CO 0.50 0.80 0.33 -1.54 -1.00 0.00 0.00 179.01 178.10 3hwp s SER 81 N -6.67 -0.09 0.00 1.42 1.04 -1.25 -1.26 113.70 106.89 3hwp s SER 81 Ca -0.09 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3hwp s SER 81 Cb 0.14 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.99 3hwp s SER 81 CO 0.81 -1.41 0.00 0.61 0.98 0.00 0.00 173.24 174.23 3hwp n GLY 82 N -0.53 4.71 3.08 7.32 0.00 -1.08 -4.83 105.19 113.86 3hwp n GLY 82 Ca -0.06 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 3hwp n GLY 82 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hwp s TYR 83 N -1.50 0.44 0.11 1.61 -0.85 -1.26 -1.28 117.35 114.62 3hwp s TYR 83 Ca 0.00 -0.93 -0.25 0.00 -0.52 0.00 0.00 57.07 55.37 3hwp s TYR 83 Cb 0.00 -0.33 0.08 0.00 0.38 0.00 0.00 41.96 42.09 3hwp s TYR 83 CO 0.00 -0.35 0.74 0.00 -1.52 0.00 0.00 175.55 174.42 3hwp s ALA 84 N -3.42 -1.65 -0.25 9.51 0.00 -0.44 -4.41 121.76 121.10 3hwp s ALA 84 Ca 0.02 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 3hwp s ALA 84 Cb 0.04 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 3hwp s ALA 84 CO -0.08 -0.79 0.20 -1.17 0.00 0.00 0.00 175.76 173.92 3hwp s LEU 85 N -2.69 4.09 0.24 0.00 2.96 -1.26 -0.85 118.68 121.17 3hwp s LEU 85 Ca 0.04 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 3hwp s LEU 85 Cb -0.02 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3hwp s LEU 85 CO -0.09 0.01 0.44 -0.76 -1.32 0.00 0.00 176.35 174.64 3hwp s LEU 86 N 1.30 4.17 0.28 -0.68 1.43 -1.26 -5.01 118.68 118.91 3hwp s LEU 86 Ca 0.09 0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 3hwp s LEU 86 Cb -0.14 -3.23 -0.13 0.00 0.03 0.00 0.00 46.19 42.72 3hwp s LEU 86 CO 0.07 -0.11 1.37 -2.65 0.23 0.00 0.00 176.35 175.26 3hwp n PRO 87 N -0.95 2.10 0.00 1.29 -0.02 -1.26 -4.45 135.00 131.71 3hwp n PRO 87 Ca -0.04 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3hwp n PRO 87 Cb 0.54 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3hwp n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwp n GLY 88 N 1.68 -1.17 1.55 -1.23 0.00 -1.26 -4.94 105.19 99.83 3hwp n GLY 88 Ca 0.09 0.48 -0.11 0.00 0.00 0.00 0.00 46.02 46.48 3hwp n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hwp n PRO 89 N 0.00 -0.27 -5.04 1.61 -0.05 -1.25 -4.61 135.00 125.39 3hwp n PRO 89 Ca 0.00 -0.91 -0.32 0.00 -0.05 0.00 0.00 63.50 62.22 3hwp n PRO 89 Cb 0.00 -0.47 -0.14 0.00 -0.05 0.00 0.00 33.50 32.84 3hwp n PRO 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3hwp s ALA 91 N -3.67 2.49 -0.03 0.55 0.00 0.92 -1.15 121.76 120.87 3hwp s ALA 91 Ca 0.29 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3hwp s ALA 91 Cb -0.01 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.30 3hwp s ALA 91 CO 0.20 0.55 -0.06 -0.47 0.00 0.00 0.00 175.76 175.98 3hwp s TYR 92 N -0.68 0.74 -0.03 0.00 5.04 -0.03 -0.98 117.35 121.40 3hwp s TYR 92 Ca 0.11 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.57 3hwp s TYR 92 Cb -0.10 -0.61 0.00 0.00 0.35 0.00 0.00 41.96 41.61 3hwp s TYR 92 CO -0.00 -0.14 -0.09 0.08 -1.34 0.00 0.00 175.55 174.06 3hwp s VAL 93 N 0.59 0.79 0.02 3.14 1.01 -0.41 -1.33 120.40 124.21 3hwp s VAL 93 Ca -0.08 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.63 3hwp s VAL 93 Cb -0.11 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3hwp s VAL 93 CO 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 175.10 175.10 3hwp s GLN 94 N 0.26 1.83 0.20 2.72 -2.07 -0.41 -0.91 119.66 121.29 3hwp s GLN 94 Ca -0.04 -0.99 -0.21 0.00 -1.82 0.00 0.00 55.36 52.30 3hwp s GLN 94 Cb -0.09 -1.90 0.04 0.00 -1.09 0.00 0.00 33.01 29.97 3hwp s GLN 94 CO 0.01 0.50 0.60 -1.54 -1.32 0.00 0.00 175.29 173.54 3hwp s SER 95 N -0.95 -0.39 -0.11 12.60 1.04 -0.38 -2.62 113.70 122.90 3hwp s SER 95 Ca 0.10 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.19 3hwp s SER 95 Cb -0.10 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.70 3hwp s SER 95 CO 0.01 -1.08 0.23 -0.60 0.98 0.00 0.00 173.24 172.77 3hwp s ARG 96 N -3.83 0.13 0.07 4.02 3.52 -0.39 -1.25 118.95 121.22 3hwp s ARG 96 Ca 0.06 0.63 0.08 0.00 -0.13 0.00 0.00 55.73 56.37 3hwp s ARG 96 Cb -0.02 -0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 3hwp s ARG 96 CO -0.05 -0.26 -0.17 0.15 -0.81 0.00 0.00 175.30 174.16 3hwp s LYS 97 N 2.06 1.99 -0.11 5.12 3.01 -0.35 -4.65 119.74 126.81 3hwp s LYS 97 Ca -0.01 -1.05 -0.02 0.00 -1.01 0.00 0.00 55.97 53.88 3hwp s LYS 97 Cb -0.12 -2.18 -0.03 0.00 -1.01 0.00 0.00 37.83 34.49 3hwp s LYS 97 CO -0.08 0.52 -0.01 0.12 0.51 0.00 0.00 175.35 176.41 3hwp s PHE 98 N -1.02 3.10 -0.49 3.18 5.36 -1.26 -0.65 117.98 126.19 3hwp s PHE 98 Ca 0.16 0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 56.14 3hwp s PHE 98 Cb -0.11 -1.85 0.13 0.00 -0.34 0.00 0.00 43.02 40.85 3hwp s PHE 98 CO 0.08 0.27 0.27 -0.06 -1.46 0.00 0.00 175.22 174.32 3hwp s PHE 99 N -0.40 3.50 0.12 10.12 0.08 -1.26 -4.93 117.98 125.21 3hwp s PHE 99 Ca 0.07 -2.69 -0.33 0.00 0.12 0.00 0.00 56.93 54.11 3hwp s PHE 99 Cb -0.12 -3.13 -0.12 0.00 -0.57 0.00 0.00 43.02 39.08 3hwp s PHE 99 CO 0.02 -0.90 1.75 -2.30 -0.10 0.00 0.00 175.22 173.69 3hwp n PRO 100 N 3.99 2.53 -1.71 0.24 -0.02 -1.26 -2.48 135.00 136.29 3hwp n PRO 100 Ca 0.03 0.92 -0.18 0.00 -2.02 0.00 0.00 63.50 62.25 3hwp n PRO 100 Cb 0.39 -2.76 -0.06 0.00 -0.02 0.00 0.00 33.50 31.05 3hwp n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwp n GLY 101 N 3.97 1.25 3.76 -1.23 0.00 0.49 -4.91 105.19 108.53 3hwp n GLY 101 Ca 0.18 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3hwp n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwp s THR 103 N -0.99 3.41 0.26 0.00 -4.23 -1.26 -4.39 115.64 108.44 3hwp s THR 103 Ca 0.16 -1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 59.34 3hwp s THR 103 Cb -0.12 -3.17 0.19 0.00 1.34 0.00 0.00 72.50 70.74 3hwp s THR 103 CO 0.05 -0.13 1.85 0.00 -0.54 0.00 0.00 174.62 175.86 3hwp h ALA 104 N 1.13 1.22 0.00 3.99 0.00 -1.97 -2.42 119.26 121.21 3hwp h ALA 104 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hwp h ALA 104 Cb 1.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hwp h ALA 104 CO 0.57 0.59 0.00 0.94 0.00 0.00 0.00 179.25 181.34 3hwp n GLN 105 N -4.32 0.00 0.00 0.00 -0.06 -1.26 -0.62 117.38 111.12 3hwp n GLN 105 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 3hwp n GLN 105 Cb 0.15 -1.32 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 3hwp n GLN 105 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3hwp n PHE 107 N 0.82 0.00 -0.25 3.69 7.35 -0.91 -0.91 117.46 127.25 3hwp n PHE 107 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 3hwp n PHE 107 Cb 0.00 0.00 0.04 0.00 0.35 0.00 0.00 39.48 39.87 3hwp n PHE 107 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hwp h LYS 108 N 0.00 1.04 -0.73 -4.13 1.57 -1.15 -2.71 116.57 110.45 3hwp h LYS 108 Ca 0.00 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3hwp h LYS 108 Cb 0.00 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3hwp h LYS 108 CO 0.00 0.89 0.48 2.35 -0.57 0.00 0.00 179.45 182.60 3hwp h TRP 109 N 0.99 0.90 -0.53 -1.35 7.01 -1.27 -2.46 115.95 119.24 3hwp h TRP 109 Ca 0.22 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.33 3hwp h TRP 109 Cb 0.26 -0.30 -0.07 0.00 -2.10 0.00 0.00 29.16 26.94 3hwp h TRP 109 CO 0.02 0.55 0.15 2.35 -2.79 0.00 0.00 178.44 178.72 3hwp h TRP 110 N 0.96 0.26 0.00 2.65 2.91 -1.75 0.18 115.95 121.17 3hwp h TRP 110 Ca 0.28 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.29 3hwp h TRP 110 Cb -0.07 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.54 3hwp h TRP 110 CO -0.03 0.04 -0.19 0.74 -1.03 0.00 0.00 178.44 177.98 3hwp h PHE 111 N 0.31 0.00 0.00 2.65 0.04 -1.27 -1.95 116.94 116.72 3hwp h PHE 111 Ca 0.27 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.79 3hwp h PHE 111 Cb 0.34 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 3hwp h PHE 111 CO -0.20 0.19 -1.43 0.82 -0.60 0.00 0.00 178.31 177.08 3hwp h ILE 112 N 0.00 1.01 0.09 -0.55 1.08 -1.03 -3.41 117.51 114.70 3hwp h ILE 112 Ca -0.00 -2.76 -0.30 0.00 -0.39 0.00 0.00 64.86 61.41 3hwp h ILE 112 Cb 0.43 2.47 -0.02 0.00 -3.07 0.00 0.00 36.82 36.64 3hwp h ILE 112 CO 0.02 0.58 -1.61 -0.25 -0.69 0.00 0.00 178.15 176.20 3hwp h TRP 113 N 0.00 0.35 0.00 1.37 7.01 -0.25 -3.40 115.95 121.02 3hwp h TRP 113 Ca -0.19 -0.25 -0.08 0.00 2.11 0.00 0.00 58.89 60.48 3hwp h TRP 113 Cb 1.86 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.90 3hwp h TRP 113 CO 0.00 1.63 -0.37 1.12 -2.79 0.00 0.00 178.44 178.03 3hwp h HIS 114 N -0.33 0.00 0.00 2.65 2.07 -1.60 -3.11 115.15 114.84 3hwp h HIS 114 Ca -0.36 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.16 3hwp h HIS 114 Cb 1.76 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.74 3hwp h HIS 114 CO 0.10 0.37 0.00 -2.30 -3.07 0.00 0.00 177.93 173.03 3hwp n PRO 115 N -4.08 0.01 -0.22 5.12 -0.02 -1.26 -3.12 135.00 131.44 3hwp n PRO 115 Ca -0.02 0.25 -0.01 0.00 -2.02 0.00 0.00 63.50 61.71 3hwp n PRO 115 Cb 0.41 -1.52 0.21 0.00 -0.02 0.00 0.00 33.50 32.58 3hwp n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hwp h ALA 116 N 2.50 1.37 -3.65 3.55 0.00 -1.82 -3.42 119.26 117.79 3hwp h ALA 116 Ca 0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 54.91 54.45 3hwp h ALA 116 Cb 0.26 -0.30 -0.32 0.00 0.00 0.00 0.00 17.79 17.44 3hwp h ALA 116 CO 0.00 0.53 -0.76 -1.21 0.00 0.00 0.00 179.25 177.81 3hwp s GLU 117 N -5.73 0.60 0.32 0.00 2.02 -1.18 -5.03 118.70 109.71 3hwp s GLU 117 Ca -0.11 -0.12 0.10 0.00 0.02 0.00 0.00 54.97 54.86 3hwp s GLU 117 Cb 0.17 -0.63 0.90 0.00 0.10 0.00 0.00 34.13 34.67 3hwp s GLU 117 CO 0.79 -0.00 1.73 0.77 0.02 0.00 0.00 175.26 178.57 3hwp h SER 118 N 6.71 0.67 -0.46 -0.19 0.02 -1.83 -1.27 113.55 117.20 3hwp h SER 118 Ca -0.35 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 3hwp h SER 118 Cb 1.16 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 3hwp h SER 118 CO 0.49 0.11 0.30 -0.33 -1.14 0.00 0.00 176.83 176.26 3hwp h GLU 119 N 0.58 0.51 -0.40 3.45 3.07 -1.91 -1.14 114.58 118.74 3hwp h GLU 119 Ca 0.64 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.40 3hwp h GLU 119 Cb 1.23 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 3hwp h GLU 119 CO -0.46 0.34 -0.01 0.00 -1.40 0.00 0.00 179.01 177.49 3hwp h ARG 120 N 0.53 0.72 -0.63 2.33 3.08 -1.47 -2.93 114.38 116.01 3hwp h ARG 120 Ca 0.18 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3hwp h ARG 120 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3hwp h ARG 120 CO -0.04 0.81 0.42 -0.92 -1.07 0.00 0.00 179.97 179.16 3hwp h TYR 121 N 0.55 0.79 0.00 3.04 3.20 -1.17 -2.19 116.97 121.19 3hwp h TYR 121 Ca 0.11 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3hwp h TYR 121 Cb 0.49 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3hwp h TYR 121 CO 0.04 0.50 -0.19 1.79 -1.64 0.00 0.00 178.16 178.65 3hwp h THR 122 N 0.85 0.83 -0.84 1.81 1.35 -1.14 -2.84 112.91 112.93 3hwp h THR 122 Ca 0.23 -0.75 0.07 0.00 -0.55 0.00 0.00 66.41 65.41 3hwp h THR 122 Cb -0.10 1.44 -0.06 0.00 -1.73 0.00 0.00 68.15 67.70 3hwp h THR 122 CO -0.05 0.19 0.51 -0.07 -0.25 0.00 0.00 175.52 175.85 3hwp h LEU 123 N 0.00 0.78 -0.75 3.87 3.38 -1.31 -0.73 115.31 120.55 3hwp h LEU 123 Ca -0.00 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3hwp h LEU 123 Cb 0.43 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3hwp h LEU 123 CO 0.03 0.49 0.42 -0.25 0.09 0.00 0.00 178.44 179.22 3hwp h TRP 124 N 0.91 0.77 -1.54 1.13 2.91 -1.61 -3.38 115.95 115.14 3hwp h TRP 124 Ca 0.37 0.03 -0.27 0.00 1.13 0.00 0.00 58.89 60.15 3hwp h TRP 124 Cb 0.21 -0.23 -0.25 0.00 -0.51 0.00 0.00 29.16 28.38 3hwp h TRP 124 CO -0.04 0.33 -0.62 0.12 -1.03 0.00 0.00 178.44 177.20 3hwp s PHE 125 N -6.06 -0.77 0.55 2.65 5.99 -0.99 -4.50 117.98 114.85 3hwp s PHE 125 Ca -0.13 -0.73 0.26 0.00 0.00 0.00 0.00 56.93 56.34 3hwp s PHE 125 Cb 0.18 -0.12 1.45 0.00 0.00 0.00 0.00 43.02 44.53 3hwp s PHE 125 CO 0.77 -1.08 2.01 -1.35 -0.00 0.00 0.00 175.22 175.58 3hwp h PRO 126 N 6.31 0.00 0.00 10.12 0.11 -1.32 -1.46 132.00 145.76 3hwp h PRO 126 Ca 0.09 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 3hwp h PRO 126 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hwp h PRO 126 CO 0.15 0.00 -0.83 1.88 -0.21 0.00 0.00 178.00 178.99 3hwp h TYR 127 N 0.00 0.00 0.00 0.65 0.05 -1.93 -3.34 116.97 112.40 3hwp h TYR 127 Ca 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 3hwp h TYR 127 Cb 0.88 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.62 3hwp h TYR 127 CO 0.00 0.19 -1.01 0.00 -1.05 0.00 0.00 178.16 176.28 3hwp n ALA 128 N -2.22 2.00 -2.72 3.88 0.00 -0.76 -4.34 120.51 116.36 3hwp n ALA 128 Ca -0.01 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 3hwp n ALA 128 Cb 0.63 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 20.19 3hwp n ALA 128 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hwp s HIS 129 N -2.01 3.57 -0.09 0.00 3.76 -0.62 -0.85 115.29 119.04 3hwp s HIS 129 Ca -0.00 1.20 -0.10 0.00 -0.15 0.00 0.00 55.06 56.01 3hwp s HIS 129 Cb 0.00 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 3hwp s HIS 129 CO 0.01 0.09 -0.20 0.28 -0.85 0.00 0.00 174.74 174.07 3hwp n VAL 130 N 3.77 0.98 -3.54 -0.90 0.31 -0.28 -4.64 118.33 114.04 3hwp n VAL 130 Ca -0.02 0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.43 3hwp n VAL 130 Cb 0.51 -1.98 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 3hwp n VAL 130 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hwp s SER 131 N -5.34 -0.48 -0.43 4.52 1.04 -1.01 -4.83 113.70 107.17 3hwp s SER 131 Ca -0.17 0.18 0.08 0.00 0.48 0.00 0.00 55.95 56.51 3hwp s SER 131 Cb 0.02 0.52 0.28 0.00 0.10 0.00 0.00 66.02 66.95 3hwp s SER 131 CO 0.25 -0.77 0.81 -0.46 0.98 0.00 0.00 173.24 174.05 3hwp n ASN 132 N 0.26 -1.21 -4.77 7.02 2.04 -1.26 -0.08 115.26 117.27 3hwp n ASN 132 Ca -0.18 -3.18 -0.38 0.00 -0.44 0.00 0.00 54.58 50.40 3hwp n ASN 132 Cb 0.61 0.71 -0.00 0.00 -2.53 0.00 0.00 39.78 38.56 3hwp n ASN 132 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 3hwp s PRO 133 N -0.53 3.80 0.40 -0.53 0.04 -1.25 -4.59 135.00 132.34 3hwp s PRO 133 Ca 0.32 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.37 3hwp s PRO 133 Cb 0.25 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 3hwp s PRO 133 CO -0.13 -0.57 0.46 0.00 0.04 0.00 0.00 177.00 176.80 3hwp h VAL 135 N 0.87 1.28 -3.15 0.00 2.07 -1.49 -3.36 116.25 112.48 3hwp h VAL 135 Ca -0.42 -1.48 -0.64 0.00 0.82 0.00 0.00 66.70 64.98 3hwp h VAL 135 Cb 1.27 1.39 -0.40 0.00 -1.52 0.00 0.00 31.29 32.03 3hwp h VAL 135 CO 0.52 0.48 -0.47 -1.00 0.02 0.00 0.00 177.57 177.12 3hwp s HIS 136 N -4.41 3.63 0.17 1.57 3.76 -1.26 -4.94 115.29 113.82 3hwp s HIS 136 Ca -0.09 -3.27 -0.09 0.00 -0.15 0.00 0.00 55.06 51.47 3hwp s HIS 136 Cb 0.12 -2.84 0.05 0.00 1.11 0.00 0.00 32.58 31.03 3hwp s HIS 136 CO 0.84 -0.60 1.58 1.12 -0.85 0.00 0.00 174.74 176.84 3hwp h HIS 137 N 5.59 1.12 -0.48 1.40 -0.00 -1.99 -2.90 115.15 117.89 3hwp h HIS 137 Ca 0.14 -0.25 0.02 0.00 -0.00 0.00 0.00 60.37 60.28 3hwp h HIS 137 Cb 0.77 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.89 3hwp h HIS 137 CO 0.69 1.07 0.32 1.96 -0.00 0.00 0.00 177.93 181.96 3hwp h GLN 138 N 0.87 0.56 -0.86 5.12 4.20 -1.96 -1.90 115.11 121.14 3hwp h GLN 138 Ca 0.12 -0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.97 3hwp h GLN 138 Cb 0.73 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 3hwp h GLN 138 CO 0.06 0.37 0.56 -0.09 -0.67 0.00 0.00 178.83 179.06 3hwp h ARG 139 N 0.58 0.48 0.00 1.46 2.43 -1.89 -1.84 114.38 115.60 3hwp h ARG 139 Ca 0.19 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3hwp h ARG 139 Cb 0.04 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3hwp h ARG 139 CO -0.05 0.32 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.60 3hwp h LEU 140 N 0.50 0.00 -1.98 3.80 3.38 -1.45 -2.28 115.31 117.28 3hwp h LEU 140 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3hwp h LEU 140 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3hwp h LEU 140 CO -0.17 0.07 0.00 0.54 0.09 0.00 0.00 178.44 178.96 3hwp n ARG 141 N -3.41 1.82 -2.47 1.13 1.74 -0.70 -4.94 116.66 109.83 3hwp n ARG 141 Ca -0.02 -1.77 -0.43 0.00 -0.77 0.00 0.00 57.85 54.86 3hwp n ARG 141 Cb 0.21 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 3hwp n ARG 141 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hwp s ASP 142 N -1.37 6.74 0.00 0.55 -1.08 -0.86 -4.90 116.67 115.75 3hwp s ASP 142 Ca 0.25 1.18 0.28 0.00 -0.52 0.00 0.00 52.55 53.75 3hwp s ASP 142 Cb 0.16 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.29 3hwp s ASP 142 CO 0.23 -1.02 1.91 -1.84 0.52 0.00 0.00 175.17 174.96 3hwp n GLU 143 N 7.20 0.02 -0.01 4.34 0.28 -1.26 -2.27 120.64 128.94 3hwp n GLU 143 Ca 0.14 0.02 0.09 0.00 -0.16 0.00 0.00 57.16 57.24 3hwp n GLU 143 Cb 0.47 -1.50 0.50 0.00 1.43 0.00 0.00 31.44 32.34 3hwp n GLU 143 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3hwp n SER 144 N -1.49 0.10 -4.32 -1.84 3.41 -1.26 -4.83 113.62 103.38 3hwp n SER 144 Ca 0.07 -1.48 -0.32 0.00 -0.26 0.00 0.00 58.87 56.88 3hwp n SER 144 Cb 0.33 -0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 64.11 3hwp n SER 144 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hwp s LEU 145 N -1.54 2.29 0.93 1.04 1.43 -0.96 -5.13 118.68 116.75 3hwp s LEU 145 Ca 0.26 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3hwp s LEU 145 Cb 0.12 -1.44 0.15 0.00 0.03 0.00 0.00 46.19 45.04 3hwp s LEU 145 CO 0.20 0.25 1.09 -0.94 0.23 0.00 0.00 176.35 177.19 3hwp s SER 146 N -0.20 3.21 0.21 2.29 1.04 -1.26 -4.78 113.70 114.21 3hwp s SER 146 Ca -0.02 1.43 -0.15 0.00 0.48 0.00 0.00 55.95 57.69 3hwp s SER 146 Cb -0.13 -2.10 0.22 0.00 0.10 0.00 0.00 66.02 64.10 3hwp s SER 146 CO 0.03 -2.79 1.62 0.15 0.98 0.00 0.00 173.24 173.23 3hwp h PHE 147 N -1.66 -0.46 -0.84 5.02 3.57 -1.99 -1.40 116.94 119.19 3hwp h PHE 147 Ca -0.51 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 3hwp h PHE 147 Cb 1.29 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 40.29 3hwp h PHE 147 CO 0.39 -0.30 0.52 0.93 -2.23 0.00 0.00 178.31 177.62 3hwp h GLU 148 N -0.04 1.14 0.00 1.11 3.07 -1.97 -2.35 114.58 115.53 3hwp h GLU 148 Ca 0.29 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 59.01 3hwp h GLU 148 Cb 0.49 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3hwp h GLU 148 CO -0.66 0.79 -0.25 0.93 -1.40 0.00 0.00 179.01 178.41 3hwp h GLU 149 N 1.15 0.00 0.03 2.33 5.08 -1.66 -0.15 114.58 121.37 3hwp h GLU 149 Ca 0.30 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.44 3hwp h GLU 149 Cb -0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3hwp h GLU 149 CO -0.06 0.25 -1.03 0.00 -1.00 0.00 0.00 179.01 177.18 3hwp h ARG 150 N 0.00 0.10 0.00 2.33 3.08 -0.83 -3.40 114.38 115.66 3hwp h ARG 150 Ca -0.00 -0.15 -0.44 0.00 0.07 0.00 0.00 59.98 59.46 3hwp h ARG 150 Cb 0.53 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.56 3hwp h ARG 150 CO 0.03 1.03 -2.40 -0.11 -1.07 0.00 0.00 179.97 177.46 3hwp n LEU 151 N -3.46 1.99 -4.72 3.04 7.94 -0.93 -4.61 117.00 116.25 3hwp n LEU 151 Ca -0.03 0.33 -0.42 0.00 -1.11 0.00 0.00 56.01 54.79 3hwp n LEU 151 Cb 0.93 -0.84 -0.03 0.00 0.53 0.00 0.00 43.42 44.01 3hwp n LEU 151 CO 0.49 0.56 1.07 -0.31 -1.11 0.00 0.00 177.39 178.09 3hwp s TYR 152 N -2.49 3.21 -0.10 1.96 2.02 -0.09 -1.74 117.35 120.13 3hwp s TYR 152 Ca -0.38 0.96 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 3hwp s TYR 152 Cb 0.14 -3.71 0.00 0.00 -0.40 0.00 0.00 41.96 37.99 3hwp s TYR 152 CO 0.51 -2.45 0.00 0.41 -1.57 0.00 0.00 175.55 172.45 3hwp n GLY 153 N 3.26 0.48 3.12 0.71 0.00 -0.95 -4.88 105.19 106.94 3hwp n GLY 153 Ca 0.11 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3hwp n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwp s ASN 154 N -2.29 5.40 0.17 1.61 3.84 -0.71 -5.03 114.94 117.92 3hwp s ASN 154 Ca 0.00 -2.71 -0.32 0.00 0.21 0.00 0.00 52.86 50.04 3hwp s ASN 154 Cb 0.00 -1.89 -0.11 0.00 -0.55 0.00 0.00 41.25 38.70 3hwp s ASN 154 CO 0.00 -0.42 1.73 -0.89 -2.79 0.00 0.00 177.10 174.73 3hwp s THR 155 N 0.15 2.28 -0.17 -5.21 2.01 -1.26 -4.72 115.64 108.71 3hwp s THR 155 Ca 0.16 0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.17 3hwp s THR 155 Cb -0.20 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 3hwp s THR 155 CO -0.04 0.00 0.11 -0.36 -0.69 0.00 0.00 174.62 173.65 3hwp s PHE 156 N 1.68 3.40 -0.89 4.92 0.08 -0.23 -1.31 117.98 125.63 3hwp s PHE 156 Ca 0.76 0.30 -0.08 0.00 0.12 0.00 0.00 56.93 58.03 3hwp s PHE 156 Cb -0.48 -2.08 0.23 0.00 -0.57 0.00 0.00 43.02 40.12 3hwp s PHE 156 CO 0.33 0.35 0.81 0.00 -0.10 0.00 0.00 175.22 176.61 3hwp s ALA 158 N -0.66 3.31 -0.21 0.00 0.00 -0.05 -3.77 121.76 120.38 3hwp s ALA 158 Ca 0.24 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 3hwp s ALA 158 Cb -0.11 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3hwp s ALA 158 CO -0.09 -0.33 -0.13 -1.12 0.00 0.00 0.00 175.76 174.10 3hwp s SER 159 N 0.99 3.75 -0.04 0.00 0.01 0.89 -0.21 113.70 119.09 3hwp s SER 159 Ca 0.45 -0.70 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 3hwp s SER 159 Cb -0.19 -1.58 0.09 0.00 0.21 0.00 0.00 66.02 64.54 3hwp s SER 159 CO 0.21 -0.05 0.76 -1.83 0.41 0.00 0.00 173.24 172.75 3hwp s GLU 160 N 1.33 0.96 0.19 12.44 -1.05 -1.26 -1.12 118.70 130.18 3hwp s GLU 160 Ca 0.03 0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.61 3hwp s GLU 160 Cb -0.15 0.45 -0.08 0.00 -0.44 0.00 0.00 34.13 33.92 3hwp s GLU 160 CO -0.08 -0.34 1.06 0.71 0.95 0.00 0.00 175.26 177.56 3hwp s TYR 161 N -1.77 3.67 -0.28 4.83 2.02 -0.03 -4.57 117.35 121.21 3hwp s TYR 161 Ca -0.05 1.67 0.02 0.00 -0.37 0.00 0.00 57.07 58.34 3hwp s TYR 161 Cb -0.00 -3.21 0.06 0.00 -0.40 0.00 0.00 41.96 38.41 3hwp s TYR 161 CO 0.02 -0.37 -0.06 0.08 -1.57 0.00 0.00 175.55 173.66 3hwp s VAL 162 N -0.41 2.43 0.00 0.71 1.01 0.41 -4.86 120.40 119.68 3hwp s VAL 162 Ca 0.48 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3hwp s VAL 162 Cb -0.28 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3hwp s VAL 162 CO 0.35 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3hwp n GLY 163 N 4.47 3.12 1.12 4.51 0.00 -1.26 -1.71 105.19 115.44 3hwp n GLY 163 Ca -0.12 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.82 3hwp n GLY 163 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hwp n ASP 164 N 8.04 3.61 -4.49 1.61 5.68 -1.26 -4.74 116.55 124.99 3hwp n ASP 164 Ca 0.00 -1.99 -0.38 0.00 -0.50 0.00 0.00 54.79 51.91 3hwp n ASP 164 Cb 0.00 -0.40 -0.11 0.00 -1.14 0.00 0.00 41.12 39.47 3hwp n ASP 164 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3hwp s ARG 165 N -1.02 3.58 0.81 0.11 3.52 -0.69 -4.94 118.95 120.31 3hwp s ARG 165 Ca 0.40 -0.56 -0.12 0.00 -0.13 0.00 0.00 55.73 55.33 3hwp s ARG 165 Cb 0.21 -3.58 0.08 0.00 -1.56 0.00 0.00 34.95 30.10 3hwp s ARG 165 CO 0.28 -0.32 1.11 -1.17 -0.81 0.00 0.00 175.30 174.40 3hwp s LEU 166 N 1.67 2.51 -0.30 -0.88 2.96 -1.26 -0.45 118.68 122.94 3hwp s LEU 166 Ca 0.06 1.14 -0.02 0.00 -0.22 0.00 0.00 54.13 55.09 3hwp s LEU 166 Cb -0.16 -3.71 0.19 0.00 0.50 0.00 0.00 46.19 43.00 3hwp s LEU 166 CO 0.08 -1.98 0.73 -1.00 -1.32 0.00 0.00 176.35 172.87 3hwp s HIS 168 N -3.27 -1.35 -0.17 5.38 0.09 -1.26 -4.96 115.29 109.76 3hwp s HIS 168 Ca 0.61 1.15 0.00 0.00 -0.00 0.00 0.00 55.06 56.83 3hwp s HIS 168 Cb -0.13 0.37 0.00 0.00 -0.00 0.00 0.00 32.58 32.82 3hwp s HIS 168 CO 0.53 -0.76 -0.16 -0.51 -0.00 0.00 0.00 174.74 173.85 3hwp s LEU 169 N 2.88 2.42 -0.35 0.89 1.43 0.70 -1.34 118.68 125.31 3hwp s LEU 169 Ca 0.14 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.47 3hwp s LEU 169 Cb -0.11 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3hwp s LEU 169 CO -0.21 0.06 0.98 -1.00 0.23 0.00 0.00 176.35 176.41 3hwp s HIS 170 N 0.98 3.09 -0.25 0.29 3.76 0.25 -0.87 115.29 122.54 3hwp s HIS 170 Ca -0.02 0.92 -0.07 0.00 -0.15 0.00 0.00 55.06 55.74 3hwp s HIS 170 Cb -0.15 -3.69 -0.02 0.00 1.11 0.00 0.00 32.58 29.83 3hwp s HIS 170 CO -0.03 -0.82 0.05 0.42 -0.85 0.00 0.00 174.74 173.52 3hwp s ILE 171 N 3.57 4.12 -0.54 0.60 1.01 0.19 -1.27 121.20 128.87 3hwp s ILE 171 Ca 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 3hwp s ILE 171 Cb -0.12 -2.94 0.14 0.00 0.01 0.00 0.00 42.46 39.55 3hwp s ILE 171 CO 0.18 0.33 0.33 -0.62 0.00 0.00 0.00 174.94 175.16 3hwp s ASP 172 N 1.58 5.07 0.35 3.58 2.15 0.30 -1.06 116.67 128.65 3hwp s ASP 172 Ca 0.06 -2.64 -0.28 0.00 0.43 0.00 0.00 52.55 50.12 3hwp s ASP 172 Cb -0.15 -1.80 -0.11 0.00 -0.30 0.00 0.00 42.92 40.56 3hwp s ASP 172 CO 0.02 -0.39 1.44 -0.36 -0.17 0.00 0.00 175.17 175.72 3hwp s PHE 173 N 0.25 2.74 0.03 -5.34 0.08 -1.26 -1.56 117.98 112.92 3hwp s PHE 173 Ca 0.14 1.21 -0.01 0.00 0.12 0.00 0.00 56.93 58.39 3hwp s PHE 173 Cb -0.22 -3.92 -0.03 0.00 -0.57 0.00 0.00 43.02 38.28 3hwp s PHE 173 CO -0.03 -2.71 -0.02 -0.65 -0.10 0.00 0.00 175.22 171.71 3hwp s GLN 174 N -1.84 0.46 0.13 0.44 -0.21 -0.84 -2.24 119.66 115.55 3hwp s GLN 174 Ca 0.53 -0.87 -0.35 0.00 0.02 0.00 0.00 55.36 54.69 3hwp s GLN 174 Cb -0.45 0.16 -0.16 0.00 1.00 0.00 0.00 33.01 33.57 3hwp s GLN 174 CO 0.59 -0.08 1.36 0.94 -2.12 0.00 0.00 175.29 175.97 3hwp n GLN 175 N 0.92 1.39 -0.35 2.91 7.27 -1.26 -4.64 117.38 123.63 3hwp n GLN 175 Ca -0.19 0.50 0.08 0.00 0.07 0.00 0.00 57.00 57.46 3hwp n GLN 175 Cb 0.58 -2.14 0.25 0.00 2.41 0.00 0.00 30.24 31.34 3hwp n GLN 175 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 3hwp h PRO 176 N 4.57 0.84 -0.93 3.69 0.11 -1.95 -0.49 132.00 137.84 3hwp h PRO 176 Ca -0.46 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.64 3hwp h PRO 176 Cb 1.32 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 3hwp h PRO 176 CO 0.78 0.56 0.61 0.00 -0.21 0.00 0.00 178.00 179.73 3hwp h ALA 177 N 1.56 1.43 0.00 -0.75 0.00 -1.90 -1.88 119.26 117.73 3hwp h ALA 177 Ca 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3hwp h ALA 177 Cb 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hwp h ALA 177 CO -0.31 0.47 0.00 0.77 0.00 0.00 0.00 179.25 180.18 3hwp h SER 178 N 1.14 0.00 0.31 0.00 0.02 -1.39 -1.76 113.55 111.87 3hwp h SER 178 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3hwp h SER 178 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3hwp h SER 178 CO -0.12 0.00 -0.29 0.18 -1.14 0.00 0.00 176.83 175.46 3hwp n LEU 179 N -2.55 0.85 0.00 5.07 4.77 -0.75 -4.93 117.00 119.46 3hwp n LEU 179 Ca 0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3hwp n LEU 179 Cb 0.31 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3hwp n LEU 179 CO 0.25 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3hwp n GLY 180 N 1.37 0.91 3.80 -0.72 0.00 -0.66 -4.96 105.19 104.93 3hwp n GLY 180 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3hwp n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwp s LEU 181 N 0.00 4.08 -0.21 0.99 1.43 -0.96 -4.84 118.68 119.17 3hwp s LEU 181 Ca 0.00 1.83 -0.25 0.00 -1.03 0.00 0.00 54.13 54.68 3hwp s LEU 181 Cb 0.00 -4.33 -0.01 0.00 0.03 0.00 0.00 46.19 41.88 3hwp s LEU 181 CO 0.00 -0.35 0.83 0.21 0.23 0.00 0.00 176.35 177.27 3hwp s ASN 182 N -1.88 6.89 0.17 2.29 3.84 -1.26 -4.17 114.94 120.82 3hwp s ASN 182 Ca 0.58 1.10 -0.16 0.00 0.21 0.00 0.00 52.86 54.60 3hwp s ASN 182 Cb -0.15 -2.44 0.11 0.00 -0.55 0.00 0.00 41.25 38.22 3hwp s ASN 182 CO 0.20 -0.46 1.69 0.74 -2.79 0.00 0.00 177.10 176.48 3hwp h THR 183 N 5.32 0.68 0.28 -5.21 2.02 -1.95 0.41 112.91 114.46 3hwp h THR 183 Ca -0.26 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3hwp h THR 183 Cb 1.11 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3hwp h THR 183 CO 0.86 0.02 -0.13 0.44 0.37 0.00 0.00 175.52 177.07 3hwp h ASP 184 N 0.09 -0.32 -0.62 4.18 3.32 -1.99 0.18 116.42 121.27 3hwp h ASP 184 Ca 0.20 -0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.29 3hwp h ASP 184 Cb 0.28 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 3hwp h ASP 184 CO -0.34 -0.14 0.22 -0.07 -1.72 0.00 0.00 179.24 177.19 3hwp h LEU 185 N -0.47 0.21 0.46 1.55 3.38 -1.85 0.12 115.31 118.71 3hwp h LEU 185 Ca -0.04 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hwp h LEU 185 Cb 0.35 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hwp h LEU 185 CO 0.06 0.12 -0.29 0.22 0.09 0.00 0.00 178.44 178.64 3hwp h TYR 186 N 0.40 -0.77 -0.47 1.13 3.20 0.16 0.93 116.97 121.54 3hwp h TYR 186 Ca 0.32 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.24 3hwp h TYR 186 Cb 0.40 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 3hwp h TYR 186 CO -0.17 -0.45 0.15 0.00 -1.64 0.00 0.00 178.16 176.05 3hwp h ARG 187 N -0.73 0.31 0.00 1.82 3.08 -0.23 -1.00 114.38 117.63 3hwp h ARG 187 Ca -0.05 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3hwp h ARG 187 Cb 0.60 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3hwp h ARG 187 CO 0.05 0.20 -0.17 0.93 -1.07 0.00 0.00 179.97 179.91 3hwp h GLU 188 N 0.31 0.00 0.00 0.04 5.08 -0.49 -0.38 114.58 119.14 3hwp h GLU 188 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3hwp h GLU 188 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3hwp h GLU 188 CO -0.25 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 3hwp h ALA 189 N 1.83 1.00 -5.28 3.43 0.00 0.46 -3.47 119.26 117.21 3hwp h ALA 189 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 3hwp h ALA 189 Cb 0.31 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.24 3hwp h ALA 189 CO 0.02 0.00 -0.65 1.63 0.00 0.00 0.00 179.25 180.26 3hwp n LYS 190 N -3.07 -6.52 -2.16 0.00 5.02 -0.15 -4.96 118.16 106.32 3hwp n LYS 190 Ca 0.03 0.75 -0.42 0.00 -2.02 0.00 0.00 58.31 56.65 3hwp n LYS 190 Cb 0.44 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 29.91 3hwp n LYS 190 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hwp s ILE 191 N -3.30 3.12 -0.14 -0.18 -1.09 -1.25 -4.90 121.20 113.46 3hwp s ILE 191 Ca 0.26 0.88 0.15 0.00 -2.23 0.00 0.00 60.65 59.71 3hwp s ILE 191 Cb -0.12 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 3hwp s ILE 191 CO 0.65 0.11 1.35 0.44 -1.23 0.00 0.00 174.94 176.26 3hwp h ASP 192 N 5.83 0.00 -4.56 3.58 3.32 -1.56 -3.48 116.42 119.53 3hwp h ASP 192 Ca -0.44 0.00 0.25 0.00 0.02 0.00 0.00 57.03 56.86 3hwp h ASP 192 Cb 1.21 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.59 3hwp h ASP 192 CO 0.81 0.53 0.78 -0.83 -1.72 0.00 0.00 179.24 178.81 3hwp s GLY 193 N -4.52 -0.33 -0.03 2.75 0.00 -0.97 -5.02 107.32 99.21 3hwp s GLY 193 Ca 0.03 1.37 0.01 0.00 0.00 0.00 0.00 44.72 46.13 3hwp s GLY 193 CO 0.76 0.43 -0.05 -0.45 0.00 0.00 0.00 173.10 173.79 3hwp s SER 194 N -2.36 0.82 -0.31 1.64 0.15 -1.26 -1.42 113.70 110.95 3hwp s SER 194 Ca 0.10 -0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.70 3hwp s SER 194 Cb 0.00 -0.31 0.45 0.00 -1.71 0.00 0.00 66.02 64.46 3hwp s SER 194 CO -0.05 -0.01 1.18 1.33 1.20 0.00 0.00 173.24 176.89 3hwp n VAL 195 N 3.66 2.50 -2.42 4.45 0.24 -0.74 -5.02 118.33 121.00 3hwp n VAL 195 Ca -0.22 -4.32 -0.36 0.00 -2.04 0.00 0.00 64.34 57.40 3hwp n VAL 195 Cb 0.53 -1.15 -0.03 0.00 -1.47 0.00 0.00 33.84 31.73 3hwp n VAL 195 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3hwp s SER 196 N -3.59 6.42 0.21 -1.34 0.01 -1.25 -4.49 113.70 109.68 3hwp s SER 196 Ca 0.50 2.13 -0.17 0.00 1.31 0.00 0.00 55.95 59.73 3hwp s SER 196 Cb 0.41 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 64.07 3hwp s SER 196 CO 0.01 -0.73 0.52 0.00 0.41 0.00 0.00 173.24 173.45 3hwp s ALA 197 N -1.66 -0.81 0.07 1.44 0.00 -1.26 -1.99 121.76 117.55 3hwp s ALA 197 Ca 0.62 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3hwp s ALA 197 Cb -0.24 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3hwp s ALA 197 CO 0.29 -0.83 0.00 1.28 0.00 0.00 0.00 175.76 176.50 3hwp n LEU 198 N -0.35 0.00 -3.61 0.00 4.77 -0.60 -4.47 117.00 112.74 3hwp n LEU 198 Ca -0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.89 3hwp n LEU 198 Cb 0.62 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 3hwp n LEU 198 CO 0.18 -0.39 1.09 -0.94 -1.33 0.00 0.00 177.39 176.00 3hwp s SER 200 N -1.00 -0.07 0.14 -1.43 1.04 -0.40 -0.54 113.70 111.45 3hwp s SER 200 Ca 0.00 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.09 3hwp s SER 200 Cb 0.00 0.10 -0.07 0.00 0.10 0.00 0.00 66.02 66.15 3hwp s SER 200 CO 0.00 -0.18 1.07 -0.76 0.98 0.00 0.00 173.24 174.35 3hwp s LEU 201 N -2.50 4.47 0.44 2.42 1.43 -1.26 -0.58 118.68 123.11 3hwp s LEU 201 Ca 0.12 1.98 0.14 0.00 -1.03 0.00 0.00 54.13 55.34 3hwp s LEU 201 Cb 0.02 -3.60 1.06 0.00 0.03 0.00 0.00 46.19 43.70 3hwp s LEU 201 CO -0.04 -0.20 1.99 0.00 0.23 0.00 0.00 176.35 178.33 3hwp h ALA 202 N 5.49 2.03 -0.01 4.21 0.00 -1.55 0.18 119.26 129.61 3hwp h ALA 202 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hwp h ALA 202 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hwp h ALA 202 CO 0.73 -0.16 -0.04 -0.40 0.00 0.00 0.00 179.25 179.38 3hwp n ASP 203 N -4.47 0.78 -3.11 0.00 5.75 -1.26 -3.99 116.55 110.25 3hwp n ASP 203 Ca 0.09 -1.08 -0.17 0.00 -0.01 0.00 0.00 54.79 53.61 3hwp n ASP 203 Cb 0.36 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.42 3hwp n ASP 203 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3hwp n HIS 204 N -0.50 -0.48 0.28 2.11 8.25 0.58 -5.01 115.22 120.44 3hwp n HIS 204 Ca 0.19 -3.46 0.15 0.00 -0.26 0.00 0.00 57.72 54.34 3hwp n HIS 204 Cb 0.26 -0.04 0.73 0.00 1.12 0.00 0.00 29.99 32.06 3hwp n HIS 204 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3hwp h PRO 205 N 3.22 0.00 -0.65 -0.41 0.13 -1.59 -2.37 132.00 130.34 3hwp h PRO 205 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3hwp h PRO 205 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3hwp h PRO 205 CO 0.43 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 3hwp n GLU 206 N -2.56 3.85 -4.00 0.86 -0.58 -1.26 -4.75 120.64 112.20 3hwp n GLU 206 Ca -0.01 -2.83 -0.31 0.00 -0.42 0.00 0.00 57.16 53.60 3hwp n GLU 206 Cb 0.13 -1.95 -0.15 0.00 -0.57 0.00 0.00 31.44 28.90 3hwp n GLU 206 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hwp s VAL 207 N -1.99 2.04 0.12 2.62 1.01 -0.89 -4.47 120.40 118.84 3hwp s VAL 207 Ca 0.50 -1.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.24 3hwp s VAL 207 Cb 0.33 -2.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 3hwp s VAL 207 CO 0.23 -0.38 1.53 -2.84 0.00 0.00 0.00 175.10 173.64 3hwp s PRO 208 N 1.08 4.24 0.00 2.72 0.02 -1.26 -4.28 135.00 137.51 3hwp s PRO 208 Ca 0.03 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.32 3hwp s PRO 208 Cb -0.19 -3.32 0.02 0.00 0.02 0.00 0.00 34.50 31.03 3hwp s PRO 208 CO -0.08 -0.59 0.63 1.33 -0.33 0.00 0.00 177.00 177.96 3hwp n VAL 209 N 4.21 0.13 -3.73 3.83 0.24 -1.26 -4.56 118.33 117.18 3hwp n VAL 209 Ca 0.14 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 61.74 3hwp n VAL 209 Cb 0.40 0.98 -0.10 0.00 -1.47 0.00 0.00 33.84 33.65 3hwp n VAL 209 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hwp s SER 210 N -0.30 -0.43 0.21 -1.34 0.15 -1.26 -0.55 113.70 110.19 3hwp s SER 210 Ca 0.03 0.83 0.02 0.00 0.70 0.00 0.00 55.95 57.52 3hwp s SER 210 Cb 0.02 0.84 0.02 0.00 -1.71 0.00 0.00 66.02 65.18 3hwp s SER 210 CO 0.03 -0.14 0.13 -0.11 1.20 0.00 0.00 173.24 174.34 3hwp n LEU 211 N 2.87 0.00 -3.64 3.45 7.94 -0.87 -4.40 117.00 122.35 3hwp n LEU 211 Ca -0.13 -1.11 -0.05 0.00 -1.11 0.00 0.00 56.01 53.60 3hwp n LEU 211 Cb 0.57 0.01 -0.06 0.00 0.53 0.00 0.00 43.42 44.47 3hwp n LEU 211 CO 0.13 -0.34 0.37 -0.69 -1.11 0.00 0.00 177.39 175.75 3hwp s VAL 213 N -1.16 -0.19 -0.17 1.96 1.01 -0.11 -1.27 120.40 120.47 3hwp s VAL 213 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 3hwp s VAL 213 Cb -0.01 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.42 3hwp s VAL 213 CO 0.06 0.00 0.01 -1.00 0.00 0.00 0.00 175.10 174.17 3hwp s HIS 214 N 1.86 1.19 -0.12 5.22 3.76 -1.26 -0.67 115.29 125.26 3hwp s HIS 214 Ca -0.09 -0.85 0.03 0.00 -0.15 0.00 0.00 55.06 54.00 3hwp s HIS 214 Cb -0.06 -1.08 0.01 0.00 1.11 0.00 0.00 32.58 32.55 3hwp s HIS 214 CO -0.19 -0.58 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.39 3hwp s LEU 215 N 1.80 2.05 0.01 0.89 1.43 -0.18 -1.80 118.68 122.89 3hwp s LEU 215 Ca -0.00 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 3hwp s LEU 215 Cb -0.16 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3hwp s LEU 215 CO -0.07 0.10 -0.19 0.72 0.23 0.00 0.00 176.35 177.14 3hwp s PHE 216 N 0.67 2.54 -0.09 0.29 -0.71 -0.51 -0.67 117.98 119.51 3hwp s PHE 216 Ca -0.11 -0.27 -0.04 0.00 -1.04 0.00 0.00 56.93 55.47 3hwp s PHE 216 Cb -0.16 -1.50 0.04 0.00 -1.21 0.00 0.00 43.02 40.19 3hwp s PHE 216 CO 0.02 0.19 0.21 0.21 -1.34 0.00 0.00 175.22 174.51 3hwp s LYS 217 N -1.14 0.16 0.56 1.99 2.20 -0.81 -1.29 119.74 121.41 3hwp s LYS 217 Ca 0.13 0.49 -0.18 0.00 -0.36 0.00 0.00 55.97 56.05 3hwp s LYS 217 Cb -0.10 -0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.02 3hwp s LYS 217 CO 0.03 -0.17 1.07 -1.21 -0.36 0.00 0.00 175.35 174.71 3hwp s GLU 218 N 1.32 3.42 0.28 4.03 2.02 -1.26 -2.03 118.70 126.49 3hwp s GLU 218 Ca -0.08 1.36 0.02 0.00 0.02 0.00 0.00 54.97 56.29 3hwp s GLU 218 Cb -0.11 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 3hwp s GLU 218 CO -0.08 -0.75 0.13 0.14 0.02 0.00 0.00 175.26 174.73 3hwp s VAL 219 N -2.14 0.43 0.45 2.63 -7.23 0.12 -4.92 120.40 109.74 3hwp s VAL 219 Ca 0.67 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.95 3hwp s VAL 219 Cb -0.18 -2.56 0.28 0.00 0.56 0.00 0.00 36.38 34.47 3hwp s VAL 219 CO 0.30 0.00 2.08 -0.65 -0.31 0.00 0.00 175.10 176.52 3hwp h PRO 220 N 2.29 0.35 -0.00 4.82 0.11 -1.98 -2.51 132.00 135.08 3hwp h PRO 220 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hwp h PRO 220 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hwp h PRO 220 CO 0.56 0.23 -0.47 -0.25 -0.21 0.00 0.00 178.00 177.86 3hwp n ASP 221 N -4.49 0.72 0.00 -2.05 8.00 -1.26 -4.95 116.55 112.51 3hwp n ASP 221 Ca 0.02 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.01 3hwp n ASP 221 Cb 0.11 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 3hwp n ASP 221 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hwp n GLY 222 N 1.46 -1.22 2.95 0.44 0.00 -0.95 -0.38 105.19 107.50 3hwp n GLY 222 Ca 0.07 0.48 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 3hwp n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hwp s TYR 224 N 0.00 0.44 -0.26 1.61 1.51 -0.86 -0.71 117.35 119.08 3hwp s TYR 224 Ca 0.00 -0.09 0.03 0.00 -1.01 0.00 0.00 57.07 56.00 3hwp s TYR 224 Cb 0.00 -0.28 0.06 0.00 -0.11 0.00 0.00 41.96 41.63 3hwp s TYR 224 CO 0.00 -0.01 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.15 3hwp s LEU 225 N -0.15 3.38 -0.17 -1.29 1.98 0.18 -1.92 118.68 120.68 3hwp s LEU 225 Ca 0.02 -1.38 -0.14 0.00 -2.89 0.00 0.00 54.13 49.74 3hwp s LEU 225 Cb -0.02 -1.52 -0.05 0.00 0.66 0.00 0.00 46.19 45.26 3hwp s LEU 225 CO -0.00 -0.19 0.30 -0.89 -1.89 0.00 0.00 176.35 173.67 3hwp s THR 226 N 1.12 5.30 -0.01 3.68 2.01 0.16 -1.21 115.64 126.70 3hwp s THR 226 Ca -0.09 0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.49 3hwp s THR 226 Cb -0.20 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3hwp s THR 226 CO -0.05 0.36 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.68 3hwp s SER 227 N 0.61 1.46 -0.06 3.53 0.01 -0.38 -1.01 113.70 117.86 3hwp s SER 227 Ca 0.16 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.19 3hwp s SER 227 Cb -0.13 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 65.96 3hwp s SER 227 CO 0.04 0.14 -0.07 -0.13 0.41 0.00 0.00 173.24 173.64 3hwp s ARG 228 N -0.35 1.12 -0.09 12.44 1.81 0.15 -1.24 118.95 132.80 3hwp s ARG 228 Ca 0.04 -0.20 0.03 0.00 -1.72 0.00 0.00 55.73 53.89 3hwp s ARG 228 Cb -0.05 -1.06 -0.01 0.00 -0.45 0.00 0.00 34.95 33.38 3hwp s ARG 228 CO -0.00 -0.07 -0.20 0.71 -0.68 0.00 0.00 175.30 175.06 3hwp s TYR 229 N 0.93 2.61 -0.11 -0.53 1.51 -0.09 -0.93 117.35 120.74 3hwp s TYR 229 Ca -0.11 -0.69 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 3hwp s TYR 229 Cb -0.15 -1.70 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 3hwp s TYR 229 CO 0.01 -0.20 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.53 3hwp s TRP 230 N 0.01 1.84 -0.19 2.71 0.51 -0.40 -1.29 118.94 122.14 3hwp s TRP 230 Ca -0.07 -0.88 -0.03 0.00 -2.12 0.00 0.00 56.10 53.00 3hwp s TRP 230 Cb -0.15 -1.36 0.06 0.00 -0.81 0.00 0.00 33.47 31.21 3hwp s TRP 230 CO 0.05 -0.48 0.03 0.08 -0.51 0.00 0.00 176.95 176.12 3hwp s VAL 231 N 1.14 0.53 -1.88 4.03 1.01 -0.16 -2.05 120.40 123.01 3hwp s VAL 231 Ca -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3hwp s VAL 231 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3hwp s VAL 231 CO -0.03 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.48 3hwp n GLY 232 N 5.05 -0.07 3.33 4.51 0.00 0.29 -0.06 105.19 118.24 3hwp n GLY 232 Ca -0.09 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 3hwp n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwp s ALA 233 N -1.00 2.13 -0.26 4.61 0.00 -0.30 -4.62 121.76 122.32 3hwp s ALA 233 Ca 0.00 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.44 3hwp s ALA 233 Cb 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 23.12 22.82 3hwp s ALA 233 CO 0.00 0.49 0.97 -1.58 0.00 0.00 0.00 175.76 175.64 3hwp s HIS 234 N -0.88 -0.52 0.46 0.00 5.04 -1.26 -3.80 115.29 114.33 3hwp s HIS 234 Ca 0.11 1.22 0.17 0.00 -1.54 0.00 0.00 55.06 55.02 3hwp s HIS 234 Cb -0.10 0.36 1.14 0.00 0.04 0.00 0.00 32.58 34.02 3hwp s HIS 234 CO 0.03 -0.27 1.97 -1.35 -2.34 0.00 0.00 174.74 172.78 3hwp h PRO 235 N 4.12 0.29 -2.75 2.88 0.11 -1.95 -3.32 132.00 131.37 3hwp h PRO 235 Ca -0.27 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.56 3hwp h PRO 235 Cb 1.17 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3hwp h PRO 235 CO 0.13 0.19 1.15 -1.13 -0.21 0.00 0.00 178.00 178.13 3hwp n SER 236 N -4.45 4.44 0.00 -2.05 3.41 -1.26 -4.64 113.62 109.07 3hwp n SER 236 Ca 0.11 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 3hwp n SER 236 Cb 0.46 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3hwp n SER 236 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwp n ALA 238 N 3.25 0.00 0.22 7.33 0.00 -1.25 -4.71 120.51 125.34 3hwp n ALA 238 Ca 0.38 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.96 3hwp n ALA 238 Cb 0.42 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.60 3hwp n ALA 238 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3hwp h ARG 239 N 0.17 0.00 -5.36 0.00 0.11 -1.95 -3.41 114.38 103.95 3hwp h ARG 239 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 3hwp h ARG 239 Cb 0.00 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 30.96 3hwp h ARG 239 CO 0.00 0.00 -0.36 -0.06 0.10 0.00 0.00 179.97 179.65 3hwp s PHE 240 N -3.67 3.40 -0.02 4.08 0.08 -1.26 -5.02 117.98 115.56 3hwp s PHE 240 Ca -0.03 0.48 -0.35 0.00 0.12 0.00 0.00 56.93 57.15 3hwp s PHE 240 Cb 0.08 -2.34 -0.13 0.00 -0.57 0.00 0.00 43.02 40.05 3hwp s PHE 240 CO 0.26 0.15 1.71 -0.35 -0.10 0.00 0.00 175.22 176.89 3hwp n PRO 241 N 3.92 1.91 -0.05 0.24 -0.04 -1.26 -1.18 135.00 138.54 3hwp n PRO 241 Ca -0.12 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 3hwp n PRO 241 Cb 0.52 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 3hwp n PRO 241 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hwp n GLY 242 N 3.87 2.04 0.26 0.55 0.00 -1.26 -4.42 105.19 106.23 3hwp n GLY 242 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 3hwp n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwp h ALA 243 N 0.00 1.46 0.00 4.61 0.00 -1.39 -1.89 119.26 122.05 3hwp h ALA 243 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hwp h ALA 243 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hwp h ALA 243 CO 0.00 0.12 -0.02 1.05 0.00 0.00 0.00 179.25 180.40 3hwp h GLU 244 N 0.00 0.00 -0.00 0.00 9.09 -1.87 -1.51 114.58 120.29 3hwp h GLU 244 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hwp h GLU 244 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3hwp h GLU 244 CO 0.01 0.02 -0.01 1.63 0.05 0.00 0.00 179.01 180.71 3hwp n LYS 245 N -3.78 0.87 -0.14 1.06 5.02 -0.71 -4.07 118.16 116.40 3hwp n LYS 245 Ca -0.03 -0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.07 3hwp n LYS 245 Cb 0.11 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 3hwp n LYS 245 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hwp h ALA 246 N 3.84 0.57 -0.02 7.82 0.00 -1.43 -2.00 119.26 128.03 3hwp h ALA 246 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3hwp h ALA 246 Cb 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3hwp h ALA 246 CO 0.00 0.40 -0.43 0.00 0.00 0.00 0.00 179.25 179.22 3hwp h ALA 247 N 0.87 -0.69 -0.45 0.00 0.00 -1.80 0.39 119.26 117.58 3hwp h ALA 247 Ca 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hwp h ALA 247 Cb 0.56 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3hwp h ALA 247 CO 0.03 -0.97 0.27 0.77 0.00 0.00 0.00 179.25 179.35 3hwp h SER 248 N -0.58 0.44 -0.63 0.00 0.02 -1.83 -1.13 113.55 109.84 3hwp h SER 248 Ca 0.05 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3hwp h SER 248 Cb 0.66 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 3hwp h SER 248 CO -0.33 0.32 0.39 0.25 -1.14 0.00 0.00 176.83 176.31 3hwp h LEU 249 N 0.54 0.65 -0.19 5.07 5.85 -0.72 -0.91 115.31 125.60 3hwp h LEU 249 Ca 0.18 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3hwp h LEU 249 Cb 0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3hwp h LEU 249 CO -0.08 0.46 0.07 -0.07 -0.34 0.00 0.00 178.44 178.48 3hwp h LEU 250 N 0.78 0.27 -1.49 2.25 3.38 -0.03 -1.52 115.31 118.96 3hwp h LEU 250 Ca 0.25 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.17 3hwp h LEU 250 Cb -0.01 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3hwp h LEU 250 CO -0.09 0.38 0.51 0.11 0.09 0.00 0.00 178.44 179.44 3hwp h LYS 251 N 0.15 0.51 0.00 1.13 1.57 -0.78 -2.32 116.57 116.83 3hwp h LYS 251 Ca 0.06 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3hwp h LYS 251 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3hwp h LYS 251 CO -0.00 0.34 -0.97 0.93 -0.57 0.00 0.00 179.45 179.17 3hwp h GLU 252 N 0.52 0.00 0.00 3.15 5.08 -0.92 -3.44 114.58 118.98 3hwp h GLU 252 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3hwp h GLU 252 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3hwp h GLU 252 CO -0.13 0.31 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 3hwp n ASN 253 N -2.99 0.00 0.00 1.42 5.03 -0.59 -4.96 115.26 113.16 3hwp n ASN 253 Ca -0.04 -0.20 0.08 0.00 0.87 0.00 0.00 54.58 55.29 3hwp n ASN 253 Cb 0.75 0.00 0.45 0.00 -1.02 0.00 0.00 39.78 39.96 3hwp n ASN 253 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hwp n GLY 254 N 5.00 -0.65 3.34 7.41 0.00 -1.26 -4.77 105.19 114.27 3hwp n GLY 254 Ca 0.00 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.47 3hwp n GLY 254 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwp s PHE 255 N -2.00 3.94 0.46 1.61 0.40 -0.98 -4.80 117.98 116.60 3hwp s PHE 255 Ca 0.23 -2.26 0.01 0.00 -0.60 0.00 0.00 56.93 54.31 3hwp s PHE 255 Cb 0.10 -3.86 0.09 0.00 0.51 0.00 0.00 43.02 39.86 3hwp s PHE 255 CO 0.17 -1.01 0.63 0.41 0.70 0.00 0.00 175.22 176.13 3hwp n GLY 256 N 3.52 0.93 0.23 4.36 0.00 -1.26 -4.18 105.19 108.80 3hwp n GLY 256 Ca 0.19 -2.04 0.01 0.00 0.00 0.00 0.00 46.02 44.18 3hwp n GLY 256 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hwp h GLU 257 N 0.00 0.20 -0.45 1.61 3.07 -1.98 -0.82 114.58 116.21 3hwp h GLU 257 Ca -0.21 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.60 3hwp h GLU 257 Cb 0.81 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 3hwp h GLU 257 CO 0.24 0.13 0.13 0.00 -1.40 0.00 0.00 179.01 178.11 3hwp h ALA 258 N 1.52 0.59 -0.47 3.43 0.00 -1.97 -0.51 119.26 121.85 3hwp h ALA 258 Ca 0.33 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3hwp h ALA 258 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hwp h ALA 258 CO -0.46 0.25 -0.05 0.93 0.00 0.00 0.00 179.25 179.92 3hwp h GLU 259 N 0.59 0.82 -0.06 0.00 3.07 -1.77 -1.92 114.58 115.31 3hwp h GLU 259 Ca 0.14 -0.25 -0.19 0.00 -0.50 0.00 0.00 59.36 58.57 3hwp h GLU 259 Cb 0.28 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3hwp h GLU 259 CO -0.00 0.86 -0.76 -0.07 -1.40 0.00 0.00 179.01 177.63 3hwp h LEU 260 N 0.75 0.46 -0.41 1.33 3.38 -0.89 0.30 115.31 120.23 3hwp h LEU 260 Ca 0.14 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3hwp h LEU 260 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3hwp h LEU 260 CO 0.03 1.06 -0.15 -0.08 0.09 0.00 0.00 178.44 179.39 3hwp h GLU 261 N 0.25 0.83 -0.23 1.13 4.81 -0.96 0.76 114.58 121.17 3hwp h GLU 261 Ca -0.04 -0.34 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 3hwp h GLU 261 Cb 1.35 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 3hwp h GLU 261 CO 0.13 0.97 0.08 1.15 -0.73 0.00 0.00 179.01 180.62 3hwp h THR 262 N 0.64 0.95 -0.54 0.32 2.02 -1.32 -2.45 112.91 112.54 3hwp h THR 262 Ca 0.10 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.24 3hwp h THR 262 Cb 0.70 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3hwp h THR 262 CO 0.05 0.04 0.36 0.25 0.37 0.00 0.00 175.52 176.59 3hwp h LEU 263 N 0.20 0.54 -0.62 2.58 5.85 -0.63 -0.45 115.31 122.77 3hwp h LEU 263 Ca 0.10 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hwp h LEU 263 Cb 0.06 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3hwp h LEU 263 CO -0.10 0.37 0.26 0.00 -0.34 0.00 0.00 178.44 178.64 3hwp h ALA 264 N 1.68 0.81 -0.31 1.25 0.00 -0.39 0.76 119.26 123.06 3hwp h ALA 264 Ca 0.22 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hwp h ALA 264 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hwp h ALA 264 CO -0.06 0.41 -0.13 -0.92 0.00 0.00 0.00 179.25 178.56 3hwp h TYR 265 N 0.87 0.73 -0.26 0.00 3.20 -1.06 -2.26 116.97 118.19 3hwp h TYR 265 Ca 0.21 -0.17 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 3hwp h TYR 265 Cb 0.18 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3hwp h TYR 265 CO 0.01 0.85 -0.22 0.93 -1.64 0.00 0.00 178.16 178.09 3hwp h GLU 266 N 0.40 0.47 -0.54 1.82 4.39 -0.88 -1.04 114.58 119.22 3hwp h GLU 266 Ca 0.07 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 3hwp h GLU 266 Cb 0.64 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3hwp h GLU 266 CO 0.04 0.66 0.20 0.74 -1.16 0.00 0.00 179.01 179.50 3hwp h PHE 267 N 0.42 0.83 -0.37 4.33 -1.00 -0.87 -0.33 116.94 119.95 3hwp h PHE 267 Ca 0.07 -0.07 0.03 0.00 2.81 0.00 0.00 57.97 60.81 3hwp h PHE 267 Cb 0.62 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 3hwp h PHE 267 CO 0.02 0.68 0.17 0.00 -1.61 0.00 0.00 178.31 177.58 3hwp h ALA 268 N 1.05 0.45 -0.33 2.45 0.00 -0.80 0.56 119.26 122.64 3hwp h ALA 268 Ca 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hwp h ALA 268 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hwp h ALA 268 CO -0.01 -0.20 0.19 0.28 0.00 0.00 0.00 179.25 179.51 3hwp h VAL 269 N 0.36 1.13 0.16 0.00 2.07 -1.10 -3.18 116.25 115.68 3hwp h VAL 269 Ca 0.16 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3hwp h VAL 269 Cb 0.08 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3hwp h VAL 269 CO -0.12 0.13 -0.11 -0.74 0.02 0.00 0.00 177.57 176.75 3hwp h HIS 270 N 0.42 -0.28 0.00 1.57 6.17 -0.73 -1.26 115.15 121.04 3hwp h HIS 270 Ca 0.12 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.20 3hwp h HIS 270 Cb 0.03 0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.07 3hwp h HIS 270 CO -0.03 -0.17 0.00 -3.47 0.71 0.00 0.00 177.93 174.96 3hwp n ASP 271 N -5.22 0.00 0.00 3.26 2.03 0.16 -1.28 116.55 115.49 3hwp n ASP 271 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 3hwp n ASP 271 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 3hwp n ASP 271 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hwp h GLU 274 N 0.00 0.87 0.11 0.00 4.11 -1.43 -0.54 114.58 117.70 3hwp h GLU 274 Ca 0.00 -0.35 -0.27 0.00 0.07 0.00 0.00 59.36 58.81 3hwp h GLU 274 Cb 0.00 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.23 3hwp h GLU 274 CO 0.00 0.99 -1.12 0.74 0.07 0.00 0.00 179.01 179.69 3hwp h PHE 275 N 0.76 0.92 -0.69 2.06 0.04 -1.67 0.94 116.94 119.30 3hwp h PHE 275 Ca 0.11 -0.58 -0.05 0.00 2.80 0.00 0.00 57.97 60.25 3hwp h PHE 275 Cb 0.73 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 3hwp h PHE 275 CO 0.04 1.42 0.24 -0.91 -0.60 0.00 0.00 178.31 178.50 3hwp h ASN 276 N 0.15 0.97 -0.17 2.17 2.35 -1.77 -1.00 115.58 118.28 3hwp h ASN 276 Ca -0.17 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 3hwp h ASN 276 Cb 1.82 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.93 3hwp h ASN 276 CO 0.21 0.89 0.06 -0.74 -1.65 0.00 0.00 177.43 176.20 3hwp h HIS 277 N 1.01 0.27 -0.77 1.19 2.76 -1.00 -2.27 115.15 116.35 3hwp h HIS 277 Ca 0.23 -0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.49 3hwp h HIS 277 Cb 0.25 -0.08 -0.08 0.00 1.55 0.00 0.00 27.41 29.05 3hwp h HIS 277 CO 0.02 0.36 0.38 1.25 -1.30 0.00 0.00 177.93 178.64 3hwp h LEU 278 N 0.11 0.48 -2.13 0.26 5.85 -0.65 0.77 115.31 120.00 3hwp h LEU 278 Ca 0.06 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3hwp h LEU 278 Cb 0.21 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3hwp h LEU 278 CO -0.00 0.25 0.04 0.00 -0.34 0.00 0.00 178.44 178.39 3hwp h ALA 279 N 1.49 1.91 0.00 1.25 0.00 -0.78 -0.36 119.26 122.76 3hwp h ALA 279 Ca 0.40 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3hwp h ALA 279 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hwp h ALA 279 CO -0.31 -0.07 -0.06 0.66 0.00 0.00 0.00 179.25 179.47 3hwp h SER 280 N 0.00 0.00 0.00 0.00 4.64 -0.27 -3.37 113.55 114.55 3hwp h SER 280 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hwp h SER 280 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hwp h SER 280 CO -0.00 0.06 -0.24 2.22 -0.87 0.00 0.00 176.83 177.99 3hwp n PHE 281 N -3.15 0.00 -0.13 4.77 1.16 -0.96 -4.91 117.46 114.24 3hwp n PHE 281 Ca 0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.55 3hwp n PHE 281 Cb 0.39 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.29 3hwp n PHE 281 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 3hwp h LEU 282 N 0.00 -0.31 -0.96 5.98 5.85 -1.23 0.64 115.31 125.28 3hwp h LEU 282 Ca 0.00 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3hwp h LEU 282 Cb 0.00 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3hwp h LEU 282 CO 0.00 -0.11 0.63 -0.65 -0.34 0.00 0.00 178.44 177.97 3hwp h PRO 283 N 0.04 1.21 -0.23 5.25 0.11 -1.84 0.31 132.00 136.84 3hwp h PRO 283 Ca 0.21 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3hwp h PRO 283 Cb 0.31 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3hwp h PRO 283 CO -0.40 0.80 0.07 -0.44 -0.21 0.00 0.00 178.00 177.82 3hwp h ASP 284 N 1.25 0.34 -0.61 -2.05 3.32 -1.63 -1.38 116.42 115.66 3hwp h ASP 284 Ca 0.37 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.27 3hwp h ASP 284 Cb -0.06 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 3hwp h ASP 284 CO -0.10 0.46 0.32 0.25 -1.72 0.00 0.00 179.24 178.45 3hwp h LEU 285 N 0.21 0.45 -0.39 1.55 5.85 -0.47 -2.78 115.31 119.73 3hwp h LEU 285 Ca 0.07 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3hwp h LEU 285 Cb 0.25 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hwp h LEU 285 CO -0.00 0.30 0.15 0.22 -0.34 0.00 0.00 178.44 178.77 3hwp h TYR 286 N 0.59 0.59 -0.78 1.25 3.20 -0.18 0.15 116.97 121.79 3hwp h TYR 286 Ca 0.27 -0.05 0.15 0.00 3.14 0.00 0.00 58.73 62.24 3hwp h TYR 286 Cb 0.19 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 3hwp h TYR 286 CO -0.10 0.53 0.52 0.00 -1.64 0.00 0.00 178.16 177.47 3hwp h ARG 287 N 0.48 0.46 0.07 1.82 3.08 -0.99 0.21 114.38 119.51 3hwp h ARG 287 Ca 0.13 -0.03 -0.36 0.00 0.07 0.00 0.00 59.98 59.79 3hwp h ARG 287 Cb 0.19 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3hwp h ARG 287 CO -0.01 0.31 -2.11 -1.91 -1.07 0.00 0.00 179.97 175.17 3hwp n GLU 288 N -4.49 0.71 0.00 0.04 2.13 -1.05 -4.64 120.64 113.33 3hwp n GLU 288 Ca 0.15 0.22 0.03 0.00 0.66 0.00 0.00 57.16 58.21 3hwp n GLU 288 Cb 0.51 -1.66 -0.02 0.00 0.27 0.00 0.00 31.44 30.54 3hwp n GLU 288 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3hwp n PHE 289 N -3.31 0.00 -1.74 4.31 3.72 0.49 -5.06 117.46 115.87 3hwp n PHE 289 Ca -0.34 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.77 3hwp n PHE 289 Cb 1.04 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.72 3hwp n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3hwp s GLY 290 N -1.37 1.64 0.00 1.37 0.00 0.72 -5.00 107.32 104.68 3hwp s GLY 290 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3hwp s GLY 290 CO 0.21 -0.17 0.00 -1.30 0.00 0.00 0.00 173.10 171.84